(Q105205726)

English

(1S,4S,5S,8R,9R,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol

group of stereoisomers with the chemical formula C₃₂H₅₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

cucurbitane triterpenoid

1 reference

inferred from

cucurbitane triterpenoid

mass

500.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₄

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canonical SMILES

OC1CCC2C3(OC(OC)C42CCC5(C)C(CCC5(C)C4C=C3)C(C)CC=CC(OC)(C)C)C1(C)C

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isomeric SMILES

CO[C@@H]1O[C@@]23C=C[C@@H]4C1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O)C3(C)C

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Identifiers

InChI

InChI=1S/C32H52O4/c1-21(11-10-16-27(2,3)35-9)22-14-17-30(7)23-15-18-32-24(12-13-25(33)28(32,4)5)31(23,26(34-8)36-32)20-19-29(22,30)6/h10,15-16,18,21-26,33H,11-14,17,19-20H2,1-9H3/b16-10+/t21-,22-,23+,24+,25+,26-,29-,30+,31?,32+/m1/s1

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InChIKey

PCHCXXYKHCXPSQ-ZXODXOEPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PCHCXXYKHCXPSQ-ZXODXOEPSA-N

(Q105205726)

(1S,4S,5S,8R,9R,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol

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Identifiers

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