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(3S,6aR,6bS,8R,8aS,9S,12aR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol

View entire compound with spectra: 1 MS (GC)

(3S,6aR,6bS,8R,8aS,9S,12aR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
SpectraBase Compound ID 6fzcGsV3KfC
InChI InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20?,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
InChIKey CTNHZEZBBGIUJB-YSRXEMINSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9o46iAvJ1Ed
Name (3S,6aR,6bS,8R,8aS,9S,12aR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
Alternate Name(s) (3S,6aR,6bS,8R,8aS,9S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol Theasapogenol D
CAS Registry Number 53227-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20?,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
InChIKey CTNHZEZBBGIUJB-YSRXEMINSA-N
Molecular Weight 474.726 g/mol
SMILES O[C@]1([C@]2([C@](CC(C[C@@]2(C=2[C@@](C1)([C@@]1(CCC3C([C@](CC[C@@]3([C@]1(CC2)[H])C)(O)[H])(C)C)C)C)[H])(C)C)(O)[H])CO)[H]
SPLASH splash10-0pvj-0190000000-e37e4450b4b279b55b19
Source of Spectrum B-29-1358-0
Wiley ID 1394008