Roburic acid

CAS Registry Number®

6812-81-3
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CAS Name

Roburic acid

Molecular Formula

C30H48O2

Molecular Mass

440.70

Cite this Page

Roburic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6812-81-3 (retrieved 2024-06-30) (CAS RN: 6812-81-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1

InChIKey

InChIKey=RPPYCVULPFKBOG-CSHKLQQTSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@](CCC(O)=O)(C)[C@H](C(C)=C)CC2)[H]

Canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CC=C3C4C(C)C(C)CCC4(C)CCC32C

Other Names for this Substance

  • 1-Chrysenepropanoic acid, 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-1,4a,4b,6a,9,10-hexamethyl-2-(1-methylethenyl)-, (1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-
  • 1-Chrysenepropionic acid, 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10aα,12,12aβ-hexadecahydro-2α-isopropenyl-1α,4aα,4bβ,6aα,9β,10α-hexamethyl-
  • 3,4-Secoursa-4(23),12-dien-3-oic acid
  • (1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-Hexadecahydro-1,4a,4b,6a,9,10-hexamethyl-2-(1-methylethenyl)-1-chrysenepropanoic acid
  • Roburic acid

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