(Q105032403)

English

(2Z,6S)-6-[(1S,3aS,5aR,7E,9aR,9bR,11aS)-7-(hydroxyimino)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

lanostane triterpenoid

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mass

469.355594364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₇NO₃

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C3=CCC4C(C(=NO)CCC4(C)C3CCC12C)(C)C)C)C

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isomeric SMILES

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

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found in taxon

Schinus terebinthifolius

1 reference

stated in

Triterpenoids as novel natural inhibitors of human cathepsin L

Identifiers

InChI

InChI=1S/C30H47NO3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31-34)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24,34H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10-,31-25+/t19-,21-,22-,24-,28+,29-,30+/m0/s1

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InChIKey

HQRDPIWOOJDSNU-DUFNKCGWSA-N

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(Q105032403)

(2Z,6S)-6-[(1S,3aS,5aR,7E,9aR,9bR,11aS)-7-(hydroxyimino)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid

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