(Q105100682)

English

(4aS,6aR,6bR,8aR,10S,12aR,14aS,14bR)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,7,8,8a,10,11,12,12b,13,14,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,6aR,6bR,8aR,10R,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

1 reference

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C(O)C12CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2CC(C)(C)CC1

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]2C1

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found in taxon

Elateriospermum tapos

2 references

stated in

Seco-terpenoids and other constituents from Elateriospermum tapos

stated in

Seco-terpenoids and other constituents from Elateriospermum tapos

Jatropha macrorhiza

1 reference

stated in

Antitumor agents from Jatropha macrorhiza (Euphorbiaceae) III: acetylaleuritolic acid

Maprounea africana

2 references

stated in

Isolation and structural elucidation of pentacyclic triterpenoids from Maprounea africana

stated in

Plant antitumor agents, 19. Novel triterpenes from Maprounea africana

Triadica sebifera

1 reference

stated in

Triterpenoid acids from Sapium sebiferum

Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22+,23-,27-,28+,29+,30+/m0/s1

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InChIKey

BHHPRAFMEFGOLZ-OTFXKZBSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BHHPRAFMEFGOLZ-OTFXKZBSSA-N

1 reference

(Q105100682)

(4aS,6aR,6bR,8aR,10S,12aR,14aS,14bR)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

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Identifiers

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