(Q105260637)

English

3-[(3S,4S,5R,8R,9R,10R,13S,14S,17R)-4,9,10,14-tetramethyl-3,17-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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1 reference

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C4(C)CCC(C(=C)C)C4CCC32C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@@H](C(=C)C)[C@@H]4CC[C@]32C)[C@@]1(C)CCC(=O)O

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found in taxon

Triadica sebifera

1 reference

stated in

Triterpenoid acids from Sapium sebiferum

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)/t21-,22-,23-,24+,25+,27-,28-,29+,30+/m0/s1

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InChIKey

STWHPCOPDBFRNW-CMCGXILPSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105260637)

3-[(3S,4S,5R,8R,9R,10R,13S,14S,17R)-4,9,10,14-tetramethyl-3,17-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid

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