(Q105212469)

English

(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

chemical compound

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Statements

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

1 reference

based on heuristic

inferred from InChI

(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

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](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

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found in taxon

Cyathus helenae

2 references

stated in

Metabolites of bird's nest fungi. Part 9. Diterpenoid metabolites of Cyathusafricanus Brodie

stated in

Metabolites of bird's nest fungi. Part 8. Some minor metabolites of Cyathus helenae and some correlations among the cyathins

Glochidion puberum

1 reference

stated in

Triterpenoids from Glochidion macrophyllum and G. puberum

Phyllanthus puberus

1 reference

stated in

Triterpenoids from Glochidion macrophyllum and G. puberum

Monteverdia chiapensis

1 reference

stated in

Lupane triterpenoids from Maytenus species

Monteverdia cuzcoina

1 reference

stated in

Lupane triterpenoids from Maytenus species

Mangifera indica

1 reference

stated in

Differences in the chemical constituents of Mangifera indica, infected with Aspergillus niger and Fusarium moniliformae

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-IMYCGUKOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POKGESLRCWHPFR-IMYCGUKOSA-N

(Q105212469)

(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

Statements

Identifiers

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