(Q105349989)

English

[(3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

452.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₂

0 references

canonical SMILES

O=C(OC1CCC2(C3=C(C4=CCC(C(C)CCC(=CC)C(C)C)C4(C)CC3)CCC2C1)C)C

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isomeric SMILES

C/C=C(/CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1CC3)C(C)C

0 references

found in taxon

Baccharoides anthelmintica

1 reference

stated in

4α-methylvernosterol and other sterols from Vernonia anthelmintica seeds

Identifiers

InChI

InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h8,14,20-21,24-25,27H,9-13,15-19H2,1-7H3/b23-8-/t21-,24+,25+,27-,30+,31-/m1/s1

0 references

InChIKey

YKZYDOZWRPVPRA-DVRSBOFGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YKZYDOZWRPVPRA-DVRSBOFGSA-N

(Q105349989)

[(3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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