(2β,3β,5β,22R)-2,3,14,20,22,26-Hexahydroxyergost-7-en-6-one

CAS Registry Number®

20512-31-6
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CAS Name

(2β,3β,5β,22R)-2,3,14,20,22,26-Hexahydroxyergost-7-en-6-one

Molecular Formula

C28H46O7

Molecular Mass

494.66

Cite this Page

(2β,3β,5β,22R)-2,3,14,20,22,26-Hexahydroxyergost-7-en-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20512-31-6 (retrieved 2024-06-16) (CAS RN: 20512-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H46O7/c1-15(16(2)14-29)10-24(33)27(5,34)23-7-9-28(35)18-11-20(30)19-12-21(31)22(32)13-25(19,3)17(18)6-8-26(23,28)4/h11,15-17,19,21-24,29,31-35H,6-10,12-14H2,1-5H3/t15-,16?,17-,19-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1

InChIKey

InChIKey=ZJISPMMPECVLMY-DBVIDCNDSA-N

SMILES

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

Canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CC(C)C(C)CO)C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Ergost-7-en-6-one, 2,3,14,20,22,26-hexahydroxy-, (2β,3β,5β,22R)-
  • 5β-Ergost-7-en-6-one, 2β,3β,14,20,22,26-hexahydroxy-, (22R)-
  • (2β,3β,5β,22R)-2,3,14,20,22,26-Hexahydroxyergost-7-en-6-one
  • Makisterone B
  • Callinecdysone B

Deleted or Replaced CAS Registry Numbers

23261-10-1

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