NP-MRD: Showing NP-Card for (1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate (NP0258886)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 00:33:42 UTC

Updated at

2022-09-08 00:33:42 UTC

NP-MRD ID

NP0258886

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate

Description

Alysine D belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. (1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate is found in Teucrium alyssifolium. Based on a literature review very few articles have been published on Alysine D.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309082202332D          

 29 34  0  0  1  0            999 V2000
    0.7008    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5159    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129   -0.4972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339    0.9146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    0.7870    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3711    1.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902    1.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    0.5333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3639    0.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0041    1.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8505    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708    1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7884    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -1.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5178   -0.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6975   -0.2536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0460   -1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051   -0.9870    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8159   -1.5416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5362   -1.5363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8005   -1.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -0.1837    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6080   -0.5479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0604    0.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510    0.0094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9776   -0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3658   -0.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  2  0  0  0  0
 17 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 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
 24 23  1  6  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  1  0  0  0
 24 27  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 29  1  6  0  0  0
M  END


  Mrv1652309082202332D          

 29 34  0  0  1  0            999 V2000
    0.7008    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5159    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129   -0.4972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339    0.9146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    0.7870    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3711    1.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902    1.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    0.5333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3639    0.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0041    1.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8505    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708    1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7884    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -1.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5178   -0.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6975   -0.2536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0460   -1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051   -0.9870    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8159   -1.5416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5362   -1.5363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8005   -1.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -0.1837    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6080   -0.5479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0604    0.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510    0.0094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9776   -0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3658   -0.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  2  0  0  0  0
 17 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 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
 24 23  1  6  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  1  0  0  0
 24 27  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 29  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0258886

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@@H]1CC[C@H]2[C@]3(CO[C@](O)([C@@H]3O)[C@]3(C)C4=C(CC[C@]23C)C=CO4)[C@@]11CO1

> <INCHI_IDENTIFIER>
InChI=1S/C22H28O7/c1-12(23)29-15-5-4-14-18(2)8-6-13-7-9-26-16(13)19(18,3)22(25)17(24)20(14,10-28-22)21(15)11-27-21/h7,9,14-15,17,24-25H,4-6,8,10-11H2,1-3H3/t14-,15-,17-,18-,19-,20+,21-,22-/m1/s1

> <INCHI_KEY>
RHJZNBYYAGFXDR-UEJSVRJISA-N

> <FORMULA>
C22H28O7

> <MOLECULAR_WEIGHT>
404.459

> <EXACT_MASS>
404.183503242

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
41.17088710566378

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1'R,2R,3'R,6'R,7'R,15'S,16'S,19'R)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0^{1,6}.0^{7,15}.0^{10,14}]nonadecane]-10'(14'),11'-dien-3'-yl acetate

> <JCHEM_LOGP>
1.4570094363333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.490038927590437

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.501818747081748

> <JCHEM_PKA_STRONGEST_BASIC>
-2.765055792082619

> <JCHEM_POLAR_SURFACE_AREA>
101.66000000000001

> <JCHEM_REFRACTIVITY>
99.50559999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2R,3'R,6'R,7'R,15'S,16'S,19'R)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0^{1,6}.0^{7,15}.0^{10,14}]nonadecane]-10'(14'),11'-dien-3'-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       1.308   0.747   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.830   0.509   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.384  -0.928   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.797   1.707   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       5.318   1.469   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.293   2.672   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.822   2.445   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.391   0.996   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.013   0.935   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.341   2.321   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.921   2.179   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.452   2.014   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.075   0.605   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.538   0.126   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.534  -1.414   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      13.068  -1.887   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.166  -0.638   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.635  -0.473   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.286  -1.869   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.716  -1.842   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.856  -2.878   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       8.468  -2.868   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.094  -1.987   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.433  -0.343   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.602  -1.023   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.446   0.265   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.882   0.018   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.558  -1.488   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.416  -0.455   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   27                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   24                                                  
CONECT    9    8   10   11   18                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   13   18                                                  
CONECT   18   17    9   19   20                                             
CONECT   19   18                                                            
CONECT   20   18   21   22   25                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23    8   25   27                                             
CONECT   25   24   20   26                                                  
CONECT   26   25                                                            
CONECT   27   24    5   28   29                                             
CONECT   28   27   29                                                       
CONECT   29   28   27                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₈O₇

Average Mass

404.4590 Da

Monoisotopic Mass

404.18350 Da

IUPAC Name

(1'R,2R,3'R,6'R,7'R,15'S,16'S,19'R)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0^{1,6}.0^{7,15}.0^{10,14}]nonadecane]-10'(14'),11'-dien-3'-yl acetate

Traditional Name

(1'R,2R,3'R,6'R,7'R,15'S,16'S,19'R)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0^{1,6}.0^{7,15}.0^{10,14}]nonadecane]-10'(14'),11'-dien-3'-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@@H]1CC[C@H]2[C@]3(CO[C@](O)([C@@H]3O)[C@]3(C)C4=C(CC[C@]23C)C=CO4)[C@@]11CO1

InChI Identifier

InChI=1S/C22H28O7/c1-12(23)29-15-5-4-14-18(2)8-6-13-7-9-26-16(13)19(18,3)22(25)17(24)20(14,10-28-22)21(15)11-27-21/h7,9,14-15,17,24-25H,4-6,8,10-11H2,1-3H3/t14-,15-,17-,18-,19-,20+,21-,22-/m1/s1

InChI Key

RHJZNBYYAGFXDR-UEJSVRJISA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Teucrium alyssifolium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthofurans

Sub Class

Not Available

Direct Parent

Naphthofurans

Alternative Parents

Substituents

Naphthofuran
Benzofuran
Oxepane
Cyclic alcohol
Furan
Heteroaromatic compound
Tetrahydrofuran
Carboxylic acid ester
Hemiacetal
Secondary alcohol
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	1.46	ChemAxon
pKa (Strongest Acidic)	10.5	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	101.66 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	99.51 m³·mol⁻¹	ChemAxon
Polarizability	41.17 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00050329

Chemspider ID

8939061

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10763742

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate (NP0258886)

MOL for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

3D MOL for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

3D SDF for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

3D-SDF for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

PDB for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

3D PDB for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

SMILES for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

INCHI for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

Structure for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)

3D Structure for NP0258886 ((1'r,2r,3'r,6'r,7'r,15's,16's,19'r)-16',19'-dihydroxy-7',15'-dimethyl-13',17'-dioxaspiro[oxirane-2,2'-pentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecane]-10'(14'),11'-dien-3'-yl acetate)