NP-MRD: Showing NP-Card for (3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol (NP0186923)

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Record Information

Version

2.0

Created at

2022-09-04 02:55:44 UTC

Updated at

2022-09-04 02:55:44 UTC

NP-MRD ID

NP0186923

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol

Description

Bauerenol, also known as ilexol, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol is found in Arabidopsis thaliana, Ardisia japonica, Ardisia solanacea, Cichorium spinosum, Diospyros ebenum, Diospyros mespiliformis, Ficus carica, Ilex aquifolium, Ixeris chinensis, Jacobaea arnautorum, Kopsia arborea, Picris hieracioides, Sarcomelicope simplicifolia, Suregada multiflora, Symphoricarpos albus and Tussilago farfara. (3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol was first documented in 2017 (PMID: 28443465). Based on a literature review a small amount of articles have been published on Bauerenol (PMID: 33062001) (PMID: 31274013) (PMID: 31020326) (PMID: 29419735).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042204552D          

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M  END


  Mrv1652309042204552D          

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    7.0638   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2388   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 13  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  1  6  0  0  0
 31 29  1  6  0  0  0
  2 31  1  0  0  0  0
  7 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0186923

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3/t19-,20+,21+,23+,24+,25-,27-,28-,29-,30+/m1/s1

> <INCHI_KEY>
TZVDWGXUGGUMCE-JVHXOXOBSA-N

> <FORMULA>
C30H50O

> <MOLECULAR_WEIGHT>
426.729

> <EXACT_MASS>
426.38616623

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
53.85782155132557

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bR)-4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol

> <JCHEM_LOGP>
7.3901128106666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.554178983383924

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8068021126678707

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
131.9808

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bR)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      10.876  -6.517   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.106  -5.184   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.566  -5.184   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.796  -6.517   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.796  -3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.566  -2.516   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.106  -2.516   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336  -1.183   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.876  -1.183   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.416  -1.183   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.186  -2.516   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.956  -1.183   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.726  -2.516   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.496  -1.183   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.036  -1.183   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.806  -2.516   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.346  -2.516   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      19.078  -1.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      20.793  -1.990   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      20.116  -3.850   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      21.656  -3.850   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      19.346  -5.184   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      17.806  -5.184   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.036  -3.850   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.266  -5.184   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      15.496  -3.850   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      14.726  -5.184   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.186  -5.184   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.416  -3.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.646  -5.184   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.876  -3.850   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   31                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   29                                             
CONECT   12   11                                                            
CONECT   13   11   14   26                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   24                                                  
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   16   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   13   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   11   30   31                                             
CONECT   30   29                                                            
CONECT   31   29    2    7                                                  
MASTER        0    0    0    0    0    0    0    0   31    0   70    0
END

View in JSmol

Synonyms

Value	Source
Ilexol	MeSH

Chemical Formula

C₃₀H₅₀O

Average Mass

426.7290 Da

Monoisotopic Mass

426.38617 Da

IUPAC Name

(3S,4aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bR)-4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol

Traditional Name

(3S,4aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bR)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol

CAS Registry Number

Not Available

SMILES

C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C

InChI Identifier

InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3/t19-,20+,21+,23+,24+,25-,27-,28-,29-,30+/m1/s1

InChI Key

TZVDWGXUGGUMCE-JVHXOXOBSA-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
Arabidopsis thaliana	LOTUS Database	35616633
Ardisia japonica	LOTUS Database	35616633
Ardisia solanacea	LOTUS Database	35616633
Cichorium spinosum	LOTUS Database	35616633
Diospyros ebenum	LOTUS Database	35616633
Diospyros mespiliformis	LOTUS Database	35616633
Ficus carica	LOTUS Database	35616633
Ilex aquifolium	LOTUS Database	35616633
Ixeris chinensis	LOTUS Database	35616633
Jacobaea arnautorum	LOTUS Database	35616633
Kopsia arborea	LOTUS Database	35616633
Picris hieracioides	LOTUS Database	35616633
Sarcomelicope simplicifolia	LOTUS Database	35616633
Suregada multiflora	LOTUS Database	35616633
Symphoricarpos albus	LOTUS Database	35616633
Tussilago farfara	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	7.39	ChemAxon
pKa (Strongest Acidic)	19.55	ChemAxon
pKa (Strongest Basic)	-0.81	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	131.98 m³·mol⁻¹	ChemAxon
Polarizability	53.86 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	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

C00035252

Chemspider ID

99813

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

111220

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Costa PDS, Zuza da Silva OO, Costa DS, Silva LAO, de Faria Pinto P, da Silva MPN, de Moraes J, Da Silva Filho AA: Assessment of the In Vitro Antischistosomal Activities of the Extracts and Compounds from Solidago Microglossa DC (Asteraceae) and Aristolochia Cymbifera Mart. & Zucc. (Aristolochiaceae). Evid Based Complement Alternat Med. 2020 Sep 29;2020:1726365. doi: 10.1155/2020/1726365. eCollection 2020. [PubMed:33062001 ]
Ebede GR, Ndongo JT, Mbing JN, Kenfack HCM, Pegnyemb DE, Bochet CG: Contortamide, a new anti-colon cancer cerebroside and other constituents from Tabernaemontana contorta Stapf (Apocynaceae). Nat Prod Res. 2021 Jun;35(11):1757-1765. doi: 10.1080/14786419.2019.1636243. Epub 2019 Jul 5. [PubMed:31274013 ]
Han JY, Jo HJ, Kwon EK, Choi YE: Cloning and Characterization of Oxidosqualene Cyclases Involved in Taraxasterol, Taraxerol and Bauerenol Triterpene Biosynthesis in Taraxacum coreanum. Plant Cell Physiol. 2019 Jul 1;60(7):1595-1603. doi: 10.1093/pcp/pcz062. [PubMed:31020326 ]
Carothers S, Nyamwihura R, Collins J, Zhang H, Park H, Setzer WN, Ogungbe IV: Bauerenol Acetate, the Pentacyclic Triterpenoid from Tabernaemontana longipes, is an Antitrypanosomal Agent. Molecules. 2018 Feb 8;23(2):355. doi: 10.3390/molecules23020355. [PubMed:29419735 ]
Sathish Kumar P, Viswanathan MBG, Venkatesan M, Balakrishna K: Bauerenol, a triterpenoid from Indian Suregada angustifolia: Induces reactive oxygen species-mediated P38MAPK activation and apoptosis in human hepatocellular carcinoma (HepG2) cells. Tumour Biol. 2017 Apr;39(4):1010428317698387. doi: 10.1177/1010428317698387. [PubMed:28443465 ]
LOTUS database [Link]

Showing NP-Card for (3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol (NP0186923)

MOL for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

3D MOL for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

3D SDF for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

3D-SDF for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

PDB for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

3D PDB for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

SMILES for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

INCHI for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

Structure for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)

3D Structure for NP0186923 ((3s,4ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14br)-4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1h-picen-3-ol)