(3β,4α,7β,23E)-7-(Acetyloxy)-3,25-dihydroxy-9,19-cyclolanost-23-en-28-oic acid

CAS Registry Number®

1268242-90-5
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CAS Name

(3β,4α,7β,23E)-7-(Acetyloxy)-3,25-dihydroxy-9,19-cyclolanost-23-en-28-oic acid

Molecular Formula

C32H50O6

Molecular Mass

530.74

Cite this Page

(3β,4α,7β,23E)-7-(Acetyloxy)-3,25-dihydroxy-9,19-cyclolanost-23-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1268242-90-5 (retrieved 2024-05-18) (CAS RN: 1268242-90-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H50O6/c1-19(9-8-12-27(3,4)37)21-10-13-29(6)25-22(38-20(2)33)17-23-30(7,26(35)36)24(34)11-14-31(23)18-32(25,31)16-15-28(21,29)5/h8,12,19,21-25,34,37H,9-11,13-18H2,1-7H3,(H,35,36)/b12-8+/t19-,21-,22+,23+,24+,25+,28-,29+,30+,31-,32+/m1/s1

InChIKey

InChIKey=WXNIFHRIHUQKMQ-JXAGPYDFSA-N

SMILES

C[C@]12[C@]3([C@]4([C@]5(C4)[C@]([C@@](C(O)=O)(C)[C@@H](O)CC5)(C[C@@H]3OC(C)=O)[H])CC[C@]1(C)[C@@]([C@@H](C/C=C/C(C)(C)O)C)(CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2C(C(=O)O)(C)C(O)CCC32CC43CCC5(C)C(CCC5(C)C14)C(C)CC=CC(O)(C)C)C

Other Names for this Substance

  • 9,19-Cyclolanost-23-en-28-oic acid, 7-(acetyloxy)-3,25-dihydroxy-, (3β,4α,7β,23E)-
  • (3β,4α,7β,23E)-7-(Acetyloxy)-3,25-dihydroxy-9,19-cyclolanost-23-en-28-oic acid
  • Combretic acid A

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