CAS Registry Number®
6812-81-3
CAS Name
Roburic acid
Molecular Formula
C30H48O2
Molecular Mass
440.70
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
- 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-(1α,2β,4aβ,4bα,6aβ,9α,10β,10aβ,12aα)]-
