CAS 1802-12-6 | Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, 29-methyl ester, (2β,3β,4α,20β)- | CAS Number 1802-12-6

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1802-12-6 | Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, 29-methyl ester, (2β,3β,4α,20β)-

CAS No: 1802-12-6 Catalog No: AG0021SB MDL No:MFCD09953799

Product Description

Catalog Number:

AG0021SB

Chemical Name:

Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, 29-methyl ester, (2β,3β,4α,20β)-

CAS Number:

1802-12-6

Molecular Formula:

C31H48O7

Molecular Weight:

532.7086

MDL Number:

MFCD09953799

IUPAC Name:

(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

InChI:

InChI=1S/C31H48O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,19-23,32-34H,8-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1

InChI Key:

CYJWWQALTIKOAG-FLORRLIPSA-N

SMILES:

COC(=O)[C@]1(C)CC[C@]2([C@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O)C(=O)O

UNII:

18YX12Q68B