(Q104956728)

English

[(8R,10R,13S,14S,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-7,9,11,12,13,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

group of stereoisomers with the chemical formula C₃₂H₅₂O₂

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Statements

instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

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inferred from

protostane/dammarane triterpenoid

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

O=C(OC1=CCC2(C(=CCC3(C)C2CCC4C(CCC43C)C(C)CCCC(C)C)C1(C)C)C)C

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isomeric SMILES

CC(=O)OC1=CC[C@@]2(C)C(=CC[C@]3(C)C2CC[C@H]2[C@@H]([C@H](C)CCCC(C)C)CC[C@@]23C)C1(C)C

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found in taxon

Pulicaria arabica

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stated in

Caryophyllene derivatives from Pulicaria arabica

Identifiers

InChI

InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-31(8)25(24)13-14-27-30(7)18-17-28(34-23(4)33)29(5,6)26(30)16-20-32(27,31)9/h16-17,21-22,24-25,27H,10-15,18-20H2,1-9H3/t22-,24-,25+,27?,30+,31+,32-/m1/s1

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InChIKey

CFMGGAYFCJIIQZ-MUAPQTIOSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CFMGGAYFCJIIQZ-MUAPQTIOSA-N

1 reference

(Q104956728)

[(8R,10R,13S,14S,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-7,9,11,12,13,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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