(Q105161909)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

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

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found in taxon

Bursera penicillata

1 reference

stated in

Triterpenoids of the resin of Bursera delpechiana

Plumeria obtusa

1 reference

stated in

Pentacyclic triterpenoids from Plumeria obtusa

Bursera linanoe

1 reference

stated in

Triterpenoids of the resin of Bursera delpechiana

Identifiers

InChI

InChI=1S/C30H46O4/c1-17-8-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)16-20(31)24-27(5)11-10-22(32)26(3,4)21(27)9-12-29(24,28)7/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21+,22+,23-,24+,27+,28-,29-,30+/m1/s1

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InChIKey

MDQJVSLVPQYJLP-HCTNRDKISA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105161909)

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

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