NP-MRD: Showing NP-Card for (1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate (NP0252695)

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Record Information

Version

2.0

Created at

2022-09-07 16:17:13 UTC

Updated at

2022-09-07 16:17:14 UTC

NP-MRD ID

NP0252695

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate

Description

Petrosaspongiolide m belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. (1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate is found in Petrosaspongia nigra. (1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate was first documented in 2003 (PMID: 12770615). Based on a literature review a significant number of articles have been published on petrosaspongiolide m (PMID: 17117584) (PMID: 15857607) (PMID: 24530967) (PMID: 23594598) (PMID: 22438326) (PMID: 20492447).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072218172D          

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 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 32  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0252695

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@@H]1O[C@H](C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)CCC[C@]12C)C1=CC(=O)OC1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20-,21-,23?,24+,26-,27-/m0/s1

> <INCHI_KEY>
RVWQZLJUVIFAOY-GQLPRRODSA-N

> <FORMULA>
C27H40O6

> <MOLECULAR_WEIGHT>
460.611

> <EXACT_MASS>
460.282489008

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
51.751717401767266

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,4R,6S,7S,10S,11S,16S)-4-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-1,11,15,15-tetramethyl-5-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadecan-6-yl acetate

> <JCHEM_LOGP>
4.9142552493333325

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.73233573171943

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.496234493169931

> <JCHEM_PKA_STRONGEST_BASIC>
-4.30305598580737

> <JCHEM_POLAR_SURFACE_AREA>
82.06

> <JCHEM_REFRACTIVITY>
122.5219

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,4R,6S,7S,10S,11S,16S)-4-(2-hydroxy-5-oxo-2H-furan-3-yl)-1,11,15,15-tetramethyl-5-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadecan-6-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.357  -1.503   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.147  -2.959   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -0.861  -4.123   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       1.659  -3.250   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.163  -4.705   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.155  -5.869   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.659  -7.324   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.651  -8.488   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.000  -9.988   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.318 -10.784   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.450 -12.318   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -1.482  -9.776   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.883  -8.357   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.679  -7.038   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.171  -7.615   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.180  -6.451   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.676  -4.996   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.684  -3.832   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.196  -4.123   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.700  -5.578   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.212  -5.869   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.708  -4.414   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.220  -4.705   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.733  -4.996   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.237  -6.451   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.229  -7.615   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.550  -8.406   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.679  -9.054   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.716  -7.324   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.708  -8.488   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.196  -8.197   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.692  -6.742   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.684  -7.906   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   15                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12    8   14                                                  
CONECT   14   13                                                            
CONECT   15    7   16                                                       
CONECT   16   15   17   32                                                  
CONECT   17   16    5   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   32                                                  
CONECT   21   20   22   23   29                                             
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26   21   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   20   16   33                                             
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₀O₆

Average Mass

460.6110 Da

Monoisotopic Mass

460.28249 Da

IUPAC Name

(1S,2R,4R,6S,7S,10S,11S,16S)-4-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-1,11,15,15-tetramethyl-5-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadecan-6-yl acetate

Traditional Name

(1S,2R,4R,6S,7S,10S,11S,16S)-4-(2-hydroxy-5-oxo-2H-furan-3-yl)-1,11,15,15-tetramethyl-5-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadecan-6-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@@H]1O[C@H](C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)CCC[C@]12C)C1=CC(=O)OC1O

InChI Identifier

InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20-,21-,23?,24+,26-,27-/m0/s1

InChI Key

RVWQZLJUVIFAOY-GQLPRRODSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Petrosaspongia nigra	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Clerodane diterpenoid
Naphthopyran
Naphthalene
2-furanone
Dicarboxylic acid or derivatives
Oxane
Pyran
Dihydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Lactone
Hemiacetal
Carboxylic acid ester
Acetal
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.91	ChemAxon
pKa (Strongest Acidic)	5.5	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	82.06 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	122.52 m³·mol⁻¹	ChemAxon
Polarizability	51.75 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00049885

Chemspider ID

16736972

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

17748437

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Alcaraz MJ, Paya M: Marine sponge metabolites for the control of inflammatory diseases. Curr Opin Investig Drugs. 2006 Nov;7(11):974-9. [PubMed:17117584 ]
Busserolles J, Paya M, D'Auria MV, Gomez-Paloma L, Alcaraz MJ: Protection against 2,4,6-trinitrobenzenesulphonic acid-induced colonic inflammation in mice by the marine products bolinaquinone and petrosaspongiolide M. Biochem Pharmacol. 2005 May 15;69(10):1433-40. doi: 10.1016/j.bcp.2005.01.020. [PubMed:15857607 ]
Monti MC, Margarucci L, Riccio R, Bonfili L, Mozzicafreddo M, Eleuteri AM, Casapullo A: Mechanistic insights on petrosaspongiolide M inhibitory effects on immunoproteasome and autophagy. Biochim Biophys Acta. 2014 Apr;1844(4):713-21. doi: 10.1016/j.bbapap.2014.02.003. Epub 2014 Feb 14. [PubMed:24530967 ]
Andres RM, Montesinos MC, Navalon P, Paya M, Terencio MC: NF-kappaB and STAT3 inhibition as a therapeutic strategy in psoriasis: in vitro and in vivo effects of BTH. J Invest Dermatol. 2013 Oct;133(10):2362-2371. doi: 10.1038/jid.2013.182. Epub 2013 Apr 17. [PubMed:23594598 ]
Margarucci L, Tosco A, De Simone R, Riccio R, Monti MC, Casapullo A: Modulation of proteasome machinery by natural and synthetic analogues of the marine bioactive compound petrosaspongiolide M. Chembiochem. 2012 May 7;13(7):982-6. doi: 10.1002/cbic.201200113. Epub 2012 Mar 21. [PubMed:22438326 ]
De Simone R, Andres RM, Aquino M, Bruno I, Guerrero MD, Terencio MC, Paya M, Riccio R: Toward the discovery of new agents able to inhibit the expression of microsomal prostaglandin E synthase-1 enzyme as promising tools in drug development. Chem Biol Drug Des. 2010 Jul;76(1):17-24. doi: 10.1111/j.1747-0285.2010.00984.x. Epub 2010 Apr 28. [PubMed:20492447 ]
Monti MC, Casapullo A, Cavasotto CN, Tosco A, Dal Piaz F, Ziemys A, Margarucci L, Riccio R: The binding mode of petrosaspongiolide M to the human group IIA phospholipase A(2): exploring the role of covalent and noncovalent interactions in the inhibition process. Chemistry. 2009;15(5):1155-63. doi: 10.1002/chem.200801512. [PubMed:19065693 ]
Aquino M, Guerrero MD, Bruno I, Terencio MC, Paya M, Riccio R: Development of a second generation of inhibitors of microsomal prostaglandin E synthase 1 expression bearing the gamma-hydroxybutenolide scaffold. Bioorg Med Chem. 2008 Oct 1;16(19):9056-64. doi: 10.1016/j.bmc.2008.08.001. Epub 2008 Aug 6. [PubMed:18790649 ]
Guerrero MD, Aquino M, Bruno I, Terencio MC, Paya M, Riccio R, Gomez-Paloma L: Synthesis and pharmacological evaluation of a selected library of new potential anti-inflammatory agents bearing the gamma-hydroxybutenolide scaffold: a new class of inhibitors of prostanoid production through the selective modulation of microsomal prostaglandin E synthase-1 expression. J Med Chem. 2007 May 3;50(9):2176-84. doi: 10.1021/jm0700823. Epub 2007 Apr 4. [PubMed:17407277 ]
Monti MC, Casapullo A, Riccio R, Gomez-Paloma L: PLA2-mediated catalytic activation of its inhibitor 25-acetyl-petrosaspongiolide M: serendipitous identification of a new PLA2 suicide inhibitor. FEBS Lett. 2004 Dec 17;578(3):269-74. doi: 10.1016/j.febslet.2004.10.100. [PubMed:15589831 ]
Capasso A, Casapullo A, Randazzo A, Gomez-Paloma L: Petrosaspongiolide M reduces morphine withdrawal in vitro. Life Sci. 2003 Jun 20;73(5):611-6. doi: 10.1016/s0024-3205(03)00319-9. [PubMed:12770615 ]
Posadas I, Terencio MC, Randazzo A, Gomez-Paloma L, Paya M, Alcaraz MJ: Inhibition of the NF-kappaB signaling pathway mediates the anti-inflammatory effects of petrosaspongiolide M. Biochem Pharmacol. 2003 Mar 1;65(5):887-95. doi: 10.1016/s0006-2952(02)01659-3. [PubMed:12628480 ]
LOTUS database [Link]

Showing NP-Card for (1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate (NP0252695)

MOL for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

3D MOL for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

3D SDF for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

3D-SDF for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

PDB for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

3D PDB for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

SMILES for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

INCHI for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

Structure for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)

3D Structure for NP0252695 ((1s,3r,4ar,4bs,6as,10as,10bs,12as)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-4b,7,7,10a-tetramethyl-tetradecahydrophenanthro[2,1-c]pyran-1-yl acetate)