(Q105178402)

English

[(3S,4S,5S,9R,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-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

6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C3C(=C4CCC(C(C)CCCC(C)C)C4(C)CC3)CCC2C1C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)[C@@H]1C

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found in taxon

Capsicum annuum

1 reference

stated in

4α-Methyl-5α-cholest-8(14)-en-3β-ol from the seeds of Capsicum annuum

Identifiers

InChI

InChI=1S/C30H50O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)28(32-22(5)31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-21,24-25,27-28H,8-18H2,1-7H3/t20-,21+,24-,25+,27+,28+,29-,30+/m1/s1

0 references

InChIKey

NFDUZPFONWXJCK-QWXJZLEBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFDUZPFONWXJCK-QWXJZLEBSA-N

(Q105178402)

[(3S,4S,5S,9R,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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