(Q105205725)

English

(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(2R,4E)-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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(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

1 reference

based on heuristic

inferred from SMILES

mass

500.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4S,5S,8R,9R,12S,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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₂O₄

0 references

canonical SMILES

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

0 references

isomeric SMILES

CO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(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

0 references

found in taxon

Momordica charantia

2 references

stated in

Cucurbitane-type triterpenoids from the fruits of Momordica charantia and their cancer chemopreventive effects

stated in

New compounds from acid hydrolyzed products of the fruits of Momordica charantia L. and their inhibitory activity against protein tyrosine phosphatas 1B

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

0 references

InChIKey

PCHCXXYKHCXPSQ-FJKUPRPISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PCHCXXYKHCXPSQ-FJKUPRPISA-N

1 reference

(Q105205725)

(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(2R,4E)-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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