Ajugasterone C

CAS Registry Number®

23044-80-6
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CAS Name

Ajugasterone C

Molecular Formula

C27H44O7

Molecular Mass

480.63

Cite this Page

Ajugasterone C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23044-80-6 (retrieved 2024-05-04) (CAS RN: 23044-80-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1

InChIKey

InChIKey=LQGNCUXDDPRDJH-UKTRSHMFSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](O)C4)[H])([C@H](O)C[C@]1(C)[C@@]([C@@]([C@@H](CCC(C)C)O)(C)O)(CC2)[H])[H]

Canonical SMILES

O=C1C=C2C(C(O)CC3(C)C(CCC23O)C(O)(C)C(O)CCC(C)C)C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Cholest-7-en-6-one, 2,3,11,14,20,22-hexahydroxy-, (2β,3β,5β,11α,22R)-
  • 5β-Cholest-7-en-6-one, 2β,3β,11α,14,20,22-hexahydroxy-, (22R)-
  • (2β,3β,5β,11α,22R)-2,3,11,14,20,22-Hexahydroxycholest-7-en-6-one
  • Ajugasterone C
  • (+)-Ajugasterone C

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