(Q105289007)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C1CC2C(C)(C)C(O)CCC2(C)C3(O)CCC4C5C(C(=C)C)CCC5(C)CCC4(C)C13C

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isomeric SMILES

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

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found in taxon

Lithocarpus elegans

1 reference

stated in

Querspicatins A and B, two pentacyclic triterpenes from Quercus spicata

Identifiers

InChI

InChI=1S/C30H48O3/c1-18(2)19-9-12-26(5)15-16-27(6)20(24(19)26)10-14-30(33)28(7)13-11-22(31)25(3,4)21(28)17-23(32)29(27,30)8/h19-22,24,31,33H,1,9-17H2,2-8H3/t19-,20+,21-,22+,24+,26+,27+,28-,29-,30-/m0/s1

0 references

InChIKey

VMJFDUVUDYSBOF-SPBQLLKGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMJFDUVUDYSBOF-SPBQLLKGSA-N

(Q105289007)

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

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