(2α,3β,4α,5α)-2,3-Dihydroxy-4-methylergosta-7,24(28)-dien-21-oic acid

CAS Registry Number®

1289417-61-3

CAS Name

(2α,3β,4α,5α)-2,3-Dihydroxy-4-methylergosta-7,24(28)-dien-21-oic acid

Molecular Formula

C29H46O4

Molecular Mass

458.67

Cite this Page

(2α,3β,4α,5α)-2,3-Dihydroxy-4-methylergosta-7,24(28)-dien-21-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1289417-61-3 (retrieved 2025-01-10) (CAS RN: 1289417-61-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H46O4/c1-16(2)17(3)7-8-20(27(32)33)23-12-11-22-19-9-10-21-18(4)26(31)25(30)15-29(21,6)24(19)13-14-28(22,23)5/h9,16,18,20-26,30-31H,3,7-8,10-15H2,1-2,4-6H3,(H,32,33)/t18-,20+,21-,22-,23+,24-,25+,26+,28-,29-/m0/s1

InChIKey

InChIKey=AYCQAFSTPBCSLH-GDMQXADVSA-N

SMILES

C[C@@]12[C@](C=3[C@@]([C@]4(C)[C@@](CC3)([C@H](C)[C@@H](O)[C@H](O)C4)[H])(CC1)[H])(CC[C@@]2([C@@H](CCC(C(C)C)=C)C(O)=O)[H])[H]

Canonical SMILES

O=C(O)C(CCC(=C)C(C)C)C1CCC2C3=CCC4C(C)C(O)C(O)CC4(C)C3CCC21C

Other Names for this Substance

  • Ergosta-7,24(28)-dien-21-oic acid, 2,3-dihydroxy-4-methyl-, (2α,3β,4α,5α)-
  • (2α,3β,4α,5α)-2,3-Dihydroxy-4-methylergosta-7,24(28)-dien-21-oic acid
  • Fruticoside B

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