(Q105169256)

English

(3S)-3-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

400.29774514 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(9beta)-3-Oxo-23-desisobutyllanosta-7-ene-23-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₀O₃

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canonical SMILES

O=C(O)CC(C)C1CCC2(C3=CCC4C(C(=O)CCC4(C)C3CCC12C)(C)C)C

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isomeric SMILES

C[C@@H](CC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Ailanthus altissima

1 reference

stated in

Triterpenoids and Sterones from the Stem Bark of Ailanthus altissima

Identifiers

InChI

InChI=1S/C26H40O3/c1-16(15-22(28)29)17-9-13-26(6)19-7-8-20-23(2,3)21(27)11-12-24(20,4)18(19)10-14-25(17,26)5/h7,16-18,20H,8-15H2,1-6H3,(H,28,29)/t16-,17-,18-,20-,24+,25-,26+/m0/s1

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InChIKey

MOYFRUOSASPJJM-GYHWKXNLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MOYFRUOSASPJJM-GYHWKXNLSA-N

(Q105169256)

(3S)-3-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoic acid

Statements

Identifiers

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