(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 acidMolecular Formula
C29H46O4Molecular Mass
458.67Cite 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 ) (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