Lucidenic acid E

CAS Registry Number®

98665-17-9
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CAS Name

Lucidenic acid E

Molecular Formula

C29H40O8

Molecular Mass

516.62

Cite this Page

Lucidenic acid E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98665-17-9 (retrieved 2024-05-10) (CAS RN: 98665-17-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,19+,25-,27+,28+,29+/m1/s1

InChIKey

InChIKey=ASPCIAWQVXVATP-VWXYMJEFSA-N

SMILES

C[C@@]12[C@](C)(C3=C(C(=O)[C@H]1OC(C)=O)[C@]4(C)[C@@](CC3=O)(C(C)(C)[C@@H](O)CC4)[H])C(=O)C[C@@]2([C@@H](CCC(O)=O)C)[H]

Canonical SMILES

O=C(OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C4(C(=O)CC(C(C)CCC(=O)O)C14C)C)C

Other Names for this Substance

  • Chol-8-en-24-oic acid, 12-(acetyloxy)-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxo-, (3β,5α,12β)-
  • (3β,5α,12β)-12-(Acetyloxy)-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-oic acid
  • Lucidenic acid E
  • Lucidenic acid E 2

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