(Q115968062)

English

(1R,3aR,5aR,5bR,6S,7aR,11aR,11bR,13aR,13bS)-6-hydroxy-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-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

0 references

1 reference

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1CCC2(C)C3CCC4C5C(C(=C)CO)CCC5(C)CCC4(C)C3(C)C(O)CC2C1(C)C

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isomeric SMILES

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

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found in taxon

Euonymus carnosus

1 reference

stated in

Lupane triterpenoids from the stems of Euonymus carnosus

Identifiers

InChI

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

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InChIKey

PCKDIVVCHMEVBB-WWWBCOLUSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

PCKDIVVCHMEVBB-WWWBCOLUSA-N

1 reference

(Q115968062)

(1R,3aR,5aR,5bR,6S,7aR,11aR,11bR,13aR,13bS)-6-hydroxy-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-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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