(Q104967430)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

27-norlanostane triterpenoid

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mass

468.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₃

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canonical SMILES

O=C(OC(=CCCC(C)C1CCC2(C3=CCC4C(C(=O)CCC4(C)C3CCC12C)(C)C)C)C)C

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isomeric SMILES

CC(=O)O/C(C)=C\CC[C@H](C)[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

Schinus terebinthifolius

1 reference

stated in

Triterpenoids as novel natural inhibitors of human cathepsin L

Identifiers

InChI

InChI=1S/C31H48O3/c1-20(10-9-11-21(2)34-22(3)32)23-14-18-31(8)25-12-13-26-28(4,5)27(33)16-17-29(26,6)24(25)15-19-30(23,31)7/h11-12,20,23-24,26H,9-10,13-19H2,1-8H3/b21-11-/t20-,23-,24-,26-,29+,30-,31-/m0/s1

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InChIKey

CPCFBZYFZIZZCJ-VNSULCCZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPCFBZYFZIZZCJ-VNSULCCZSA-N

(Q104967430)

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

Statements

Identifiers

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