(Q105212467)

English

(1R,3aR,5aR,5bR,7aS,11R,11aR,11bR,13aS,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

chemical compound

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instance of

type of chemical entity

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subclass of

11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aR,11R,11aR,11bS,13aS,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from InChIKey

(1R,3aS,5aR,5bR,7aS,11S,11aS,11bR,13aS,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aR,11R,11aR,11bS,13aR,13bS)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C1CC(O)C2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)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](CC[C@]43C)C(C)(C)C(=O)C[C@H]5O)[C@@H]12

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found in taxon

Cyathus pygmaeus

1 reference

stated in

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

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/C30H48O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-22,24-25,32H,1,9-17H2,2-8H3/t19-,20-,21+,22+,24+,25+,27+,28+,29+,30-/m0/s1

0 references

InChIKey

POKGESLRCWHPFR-GRUDKVIOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POKGESLRCWHPFR-GRUDKVIOSA-N

(Q105212467)

(1R,3aR,5aR,5bR,7aS,11R,11aR,11bR,13aS,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

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Identifiers

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