(Q115951126)

English

(1S,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-hydroxy-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-19-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cucurbitane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(2R,4E)-6-hydroxy-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-19-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

0 references

canonical SMILES

O=C1OC23C=CC4C1(CCC5(C)C(CCC45C)C(C)CC=CC(O)(C)C)C3CCC(O)C2(C)C

0 references

isomeric SMILES

C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C

0 references

found in taxon

Momordica charantia

1 reference

stated in

Kuguacins F-S, cucurbitane triterpenoids from Momordica charantia

Identifiers

InChI

InChI=1S/C30H46O4/c1-19(9-8-14-25(2,3)33)20-12-15-28(7)21-13-16-30-22(10-11-23(31)26(30,4)5)29(21,24(32)34-30)18-17-27(20,28)6/h8,13-14,16,19-23,31,33H,9-12,15,17-18H2,1-7H3/b14-8+/t19-,20-,21+,22+,23+,27-,28+,29+,30+/m1/s1

0 references

InChIKey

CUJVAMKVNDHSSR-VZYKULCSSA-N

0 references

1 reference

2 January 2023

inferred from InChIKey

(Q115951126)

(1S,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-hydroxy-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-19-one

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Identifiers

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