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3beta-acetoxy-15alpha,22-dihydroxyhopane

PropertiesImage
MNX_IDMNXM101910 Image of MNXM101910
referencechebi:69636
formulaC32H54O4
global charge0
mol weight502.78
InChIKeyYVAGCSJSVHJSNX-CSTUNLOWSA-N
InChIInChI=1S/C32H54O4/c1-19(33)36-26-14-16-30(7)22(27(26,2)3)13-17-31(8)23(30)10-11-24-29(6)15-12-20(28(4,5)35)21(29)18-25(34)32(24,31)9/h20-26,34-35H,10-18H2,1-9H3/t20-,21-,22-,23+,24+,25-,26-,29-,30-,31+,32-/m0/s1
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](C(C)(C)O)[C@@H]5C[C@H](O)[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
MNX internals
InChI (mnx)InChI=1/C32H54O4/c1-19(33)36-26-14-16-30(7)22(27(26,2)3)13-17-31(8)23(30)10-11-24-29(6)15-12-20(28(4,5)35)21(29)18-25(34)32(24,31)9/h20-26,34-35H,10-18H2,1-9H3/t20-,21-,22-,23+,24+,25-,26-,29-,30-,31+,32-/m0/s1 Image of MNXM101910
SMILES (mnx)[CH3:1][C:19](=[O:33])[O:36][C@H:26]1[CH2:14][CH2:16][C@@:30]2([CH3:7])[C@@H:22]([CH2:13][CH2:17][C@:31]3([CH3:8])[C@@H:23]2[CH2:10][CH2:11][C@@H:24]2[C@@:29]4([CH3:6])[CH2:15][CH2:12][C@H:20]([C:28]([CH3:4])([CH3:5])[OH:35])[C@@H:21]4[CH2:18][C@H:25]([OH:34])[C@:32]23[CH3:9])[C:27]1([CH3:2])[CH3:3]
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:69636
chebi:69636
YVAGCSJSVHJSNX-CSTUNLOWSA-N
3beta-acetoxy-15alpha,22-dihydroxyhopane
(3beta,15alpha)-15,22-dihydroxyhopan-3-yl acetate