(Q105203003)

English

methyl (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-enoate

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

483.371244428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₉NO₃

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canonical SMILES

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

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isomeric SMILES

COC(=O)/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

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found in taxon

Schinus terebinthifolius

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stated in

Triterpenoids as novel natural inhibitors of human cathepsin L

Identifiers

InChI

InChI=1S/C31H49NO3/c1-20(10-9-11-21(2)27(33)35-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32-34)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25,34H,9-10,13-19H2,1-8H3/b21-11-,32-26+/t20-,22-,23-,25-,29+,30-,31+/m0/s1

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InChIKey

OXWGTWVXLUZYDX-RHCIWTASSA-N

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(Q105203003)

methyl (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-enoate

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Identifiers

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