(Q105302169)

English

(4aS,6aR,6aS,6bR,8aR,9S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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1 reference

470.339609952 dalton

1 reference

1 reference

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC4(C)C3(C)CC1

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1

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found in taxon

Tripterygium wilfordii

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stated in

Triterpenoids from Tripterygium wilfordii

stated in

Triterpenoids from Tripterygium wilfordii

Lantana camara

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stated in

Triterpenes of toxic and non-toxic taxa ofLantana camara

Identifiers

InChI

InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27+,28+,29+,30-/m0/s1

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InChIKey

WCXZTKJFWJFMJG-MMIZKXSYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WCXZTKJFWJFMJG-MMIZKXSYSA-N

(Q105302169)

(4aS,6aR,6aS,6bR,8aR,9S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

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Identifiers

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