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(3b,21b)-12-Oleanene-3,21,28-triol 28-[arabinosyl-(1->3)-arabinosyl-(1->3)-arabinoside]

PropertiesImage
MNX_IDMNXM115042 Image of MNXM115042
referencehmdb:HMDB0033641
formulaC45H74O15
global charge0
mol weight855.072
InChIKeyPUHAZANIUBMAAJ-UHFFFAOYSA-N
InChIInChI=1S/C45H74O15/c1-40(2)16-23-22-8-9-28-42(5)12-11-29(49)41(3,4)27(42)10-13-44(28,7)43(22,6)14-15-45(23,17-30(40)50)21-58-37-33(53)35(25(47)19-55-37)60-39-34(54)36(26(48)20-57-39)59-38-32(52)31(51)24(46)18-56-38/h8,23-39,46-54H,9-21H2,1-7H3
SMILESCC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(COC2OCC(O)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)CC1O
MNX internals
InChI (mnx)InChI=1/C45H74O15/c1-40(2)16-23-22-8-9-28-42(5)12-11-29(49)41(3,4)27(42)10-13-44(28,7)43(22,6)14-15-45(23,17-30(40)50)21-58-37-33(53)35(25(47)19-55-37)60-39-34(54)36(26(48)20-57-39)59-38-32(52)31(51)24(46)18-56-38/h8,23-39,46-54H,9-21H2,1-7H3/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,42?,43?,44?,45? Image of MNXM115042
SMILES (mnx)[CH3:1][C:40]1([CH3:2])[CH2:16][CH:23]2[C:22]3=[CH:8][CH2:9][CH:28]4[C:42]5([CH3:5])[CH2:12][CH2:11][CH:29]([OH:49])[C:41]([CH3:3])([CH3:4])[CH:27]5[CH2:10][CH2:13][C:44]4([CH3:7])[C:43]3([CH3:6])[CH2:14][CH2:15][C:45]2([CH2:21][O:58][CH:37]2[CH:33]([OH:53])[CH:35]([O:60][CH:39]3[CH:34]([OH:54])[CH:36]([O:59][CH:38]4[CH:32]([OH:52])[CH:31]([OH:51])[CH:24]([OH:46])[CH2:18][O:56]4)[CH:26]([OH:48])[CH2:20][O:57]3)[CH:25]([OH:47])[CH2:19][O:55]2)[CH2:17][CH:30]1[OH:50]
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
hmdb:HMDB0033641
PUHAZANIUBMAAJ-UHFFFAOYSA-N 		(3b,21b)-12-Oleanene-3,21,28-triol 28-[arabinosyl-(1->3)-arabinosyl-(1->3)-arabinoside]
2-{[2-({2-[(3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)methoxy]-3,5-dihydroxyoxan-4-yl}oxy)-3,5-dihydroxyoxan-4-yl]oxy}oxane-3,4,5-triol
2-{[2-({2-[(3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicen-4a-yl)methoxy]-3,5-dihydroxyoxan-4-yl}oxy)-3,5-dihydroxyoxan-4-yl]oxy}oxane-3,4,5-triol

hmdb:HMDB33641 		secondary/obsolete/fantasy identifier