(Q105021722)

English

(1R,3aR,5aR,5bS,7aR,9R,11R,11aS,11bS,13aS,13bR)-11-acetyloxy-9-hydroxy-3a,5a,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

11-Acetyloxy-9-hydroxy-3a,5a,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

514.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3aR,5aR,5bS,7aS,9S,11R,11aS,11bR,13aR,13bR)-11-acetyloxy-9-hydroxy-3a,5a,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₀O₅

0 references

canonical SMILES

O=C(OC1CC(O)C(C)(C)C2CCC3(C(=O)O)C(CCC4C5C(C(=C)C)CCC5(C)CCC43C)C12C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)[C@H](OC(C)=O)C[C@@H](O)C(C)(C)[C@H]5CC[C@]43C(=O)O)[C@@H]12

0 references

found in taxon

Cyathus striatus

1 reference

stated in

Metabolites of bird's nest fungi. Part 18. new oxygenated cadinane derivatives from cyathus striatus

Identifiers

InChI

InChI=1S/C32H50O5/c1-18(2)20-11-13-29(6)15-16-30(7)21(26(20)29)9-10-23-31(8)22(12-14-32(23,30)27(35)36)28(4,5)24(34)17-25(31)37-19(3)33/h20-26,34H,1,9-17H2,2-8H3,(H,35,36)/t20-,21-,22+,23-,24+,25+,26+,29+,30+,31-,32+/m0/s1

0 references

InChIKey

GVUGXPSIOSRTDM-HFEZZNJFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GVUGXPSIOSRTDM-HFEZZNJFSA-N

(Q105021722)

(1R,3aR,5aR,5bS,7aR,9R,11R,11aS,11bS,13aS,13bR)-11-acetyloxy-9-hydroxy-3a,5a,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid

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Identifiers

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