Urs-12-en-28-oic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, (2α,3α)-

CAS Registry Number®

351333-71-6
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CAS Name

Urs-12-en-28-oic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, (2α,3α)-

Molecular Formula

C40H56O7

Molecular Mass

648.87

Cite this Page

Urs-12-en-28-oic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, (2α,3α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=351333-71-6 (retrieved 2024-09-19) (CAS RN: 351333-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-28(42)34(36(3,4)30(37)16-17-39(31,38)7)47-32(43)14-10-25-9-12-27(41)29(21-25)46-8/h9-12,14,21,23-24,28,30-31,33-34,41-42H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+/t23-,24+,28-,30+,31-,33+,34-,37+,38-,39-,40+/m1/s1

InChIKey

InChIKey=LOYUSEWSBJOCNL-MOAGUHGXSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@H](OC(/C=C/C6=CC(OC)=C(O)C=C6)=O)[C@H](O)C5)[H])[H]

Canonical SMILES

O=C(OC1C(O)CC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C(=O)O)CCC43C)C1(C)C)C=CC6=CC=C(O)C(OC)=C6

Other Names for this Substance

  • Urs-12-en-28-oic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, (2α,3α)-