| SpectraBase Spectrum ID |
3RvfyMvPGYW |
| Name |
(2R,3R)-2-[(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-17-yl]-6-methyl-decane-2,3,6-triol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.386560150 u |
| Formula |
C30H52O4 |
| InChI |
InChI=1S/C30H52O4/c1-6-7-15-27(2,33)16-14-26(32)30(5,34)25-11-10-23-22-9-8-20-19-21(31)12-17-28(20,3)24(22)13-18-29(23,25)4/h8,21-26,31-34H,6-7,9-19H2,1-5H3/t21-,22-,23-,24-,25-,26+,27?,28-,29-,30+/m0/s1 |
| InChIKey |
HQYWUZAVLDFDLR-XSEAVVPDSA-N |
| Molecular Weight |
476.742 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@]([C@@](CCC(O)(CCCC)C)(O)[H])(O)C)[H])[H])C |
![(2R,3R)-2-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-decane-2,3,6-triol](/api/spectrum/3RvfyMvPGYW/structure.png?h=300&w=458 "(2R,3R)-2-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-decane-2,3,6-triol")
