(3α,4α,8α,9β,13α,14β,16β,17Z)-16-(Acetyloxy)-3-hydroxy-29-nordammara-17(20),24-dien-21-oic acid
CAS Registry Number®
1013937-16-0
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CAS Name
(3α,4α,8α,9β,13α,14β,16β,17Z)-16-(Acetyloxy)-3-hydroxy-29-nordammara-17(20),24-dien-21-oic acidMolecular Formula
C31H48O5Molecular Mass
500.71Cite this Page
(3α,4α,8α,9β,13α,14β,16β,17Z)-16-(Acetyloxy)-3-hydroxy-29-nordammara-17(20),24-dien-21-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1013937-16-0 (retrieved ) (CAS RN: 1013937-16-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H48O5/c1-18(2)9-8-10-21(28(34)35)27-23-11-12-26-29(5)15-14-24(33)19(3)22(29)13-16-30(26,6)31(23,7)17-25(27)36-20(4)32/h9,19,22-26,33H,8,10-17H2,1-7H3,(H,34,35)/b27-21-/t19-,22-,23-,24+,25-,26-,29-,30-,31-/m0/s1
InChIKey
InChIKey=XIQFIBYNKGFJIX-FNZWKSSPSA-N
SMILES
C[C@@]12[C@]3(C)[C@]([C@]4(C)[C@@](CC3)([C@H](C)[C@H](O)CC4)[H])(CC[C@]1(/C(=C(\CCC=C(C)C)/C(O)=O)/[C@@H](OC(C)=O)C2)[H])[H]
Canonical SMILES
O=C(O)C(=C1C(OC(=O)C)CC2(C)C1CCC3C4(C)CCC(O)C(C)C4CCC32C)CCC=C(C)C
Other Names for this Substance
- 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3-hydroxy-, (3α,4α,8α,9β,13α,14β,16β,17Z)-
- (3α,4α,8α,9β,13α,14β,16β,17Z)-16-(Acetyloxy)-3-hydroxy-29-nordammara-17(20),24-dien-21-oic acid
