(Q105192295)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-hydroxy-2,4a,6a,9,9,12a-hexamethyl-3,4,5,6,6b,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

442.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₃

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C(=CCC4C3CCC5C(C)(C)C(O)CCC45C)C2C1)C

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isomeric SMILES

CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@@H]12

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found in taxon

Tripterygium doianum

1 reference

stated in

Terpenoids from Tripterygium doianum (Celastraceae)

Identifiers

InChI

InChI=1S/C29H46O3/c1-25(2)22-10-9-18-19(29(22,6)12-11-23(25)30)7-8-20-21-17-27(4,24(31)32)14-13-26(21,3)15-16-28(18,20)5/h8,18-19,21-23,30H,7,9-17H2,1-6H3,(H,31,32)/t18-,19+,21+,22+,23+,26-,27-,28+,29-/m1/s1

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InChIKey

OHUGBIGEVDVYSF-OCCJYARASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105192295)

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

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