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salvin A

PropertiesImage
MNX_IDMNXM108676 Image of MNXM108676
referencechebi:66155
formulaC30H48O5
global charge0
mol weight488.709
InChIKeyXJHLRTKILMVGFI-WRKHHLQNSA-N
InChIInChI=1S/C30H48O5/c1-17-10-11-29(24(33)34)14-12-26(5)19(22(29)18(17)2)8-9-21-27(26,6)13-15-30(35)25(3,4)23(32)20(31)16-28(21,30)7/h8,17-18,20-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22+,23+,26-,27-,28-,29+,30-/m1/s1
SMILESC[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5(O)CC[C@]43C)[C@H]12
MNX internals
InChI (mnx)InChI=1/C30H48O5/c1-17-10-11-29(24(33)34)14-12-26(5)19(22(29)18(17)2)8-9-21-27(26,6)13-15-30(35)25(3,4)23(32)20(31)16-28(21,30)7/h8,17-18,20-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22+,23+,26-,27-,28-,29+,30-/m1/s1 Image of MNXM108676
SMILES (mnx)[CH3:1][C@@H:17]1[CH2:10][CH2:11][C@:29]2([C:24](=[O:33])[OH:34])[CH2:14][CH2:12][C@:26]3([CH3:5])[C:19](=[CH:8][CH2:9][C@H:21]4[C@@:27]3([CH3:6])[CH2:13][CH2:15][C@@:30]3([OH:35])[C:25]([CH3:3])([CH3:4])[C@@H:23]([OH:32])[C@H:20]([OH:31])[CH2:16][C@:28]43[CH3:7])[C@@H:22]2[C@H:18]1[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66155
chebi:66155
XJHLRTKILMVGFI-WRKHHLQNSA-N 		salvin A
(2alpha,3beta)-2,3,5-trihydroxyurs-12-en-28-oic acid