Search MNXref
 Feedback

salvin B

PropertiesImage
MNX_IDMNXM108677 Image of MNXM108677
referencechebi:66156
formulaC30H48O5
global charge0
mol weight488.709
InChIKeyXRRLUGUSXUFEDF-ZFZJRSJFSA-N
InChIInChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22+,23+,26+,27-,28+,29+,30-/m0/s1
SMILESCC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22+,23+,26+,27-,28+,29+,30-/m0/s1 Image of MNXM108677
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:11][CH2:13][C@:30]2([C:24](=[O:34])[OH:35])[CH2:14][CH2:12][C@:28]3([CH3:5])[C:18](=[CH:7][CH2:8][C@@H:21]4[C@@:26]5([CH3:3])[CH2:10][CH2:9][C@@H:22]([OH:33])[C@:27]([CH3:4])([CH2:17][OH:31])[C@@H:23]5[C@@H:20]([OH:32])[CH2:16][C@:29]43[CH3:6])[C@@H:19]2[CH2:15]1
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:66156
chebi:66156
XRRLUGUSXUFEDF-ZFZJRSJFSA-N 		salvin B
(3alpha,6alpha)-3,6,24-trihydroxyolean-12-en-28-oic acid