| SpectraBase Spectrum ID |
KrgTCVuSPIh |
| Name |
(1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-acetoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Alternate Name(s) |
(1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H50O4 |
| InChI |
InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23?,24-,25+,26+,29+,30-,31-,32+/m1/s1 |
| InChIKey |
PHFUCJXOLZAQNH-ISPSOPIZSA-N |
| Molecular Weight |
498.748 g/mol |
| SMILES |
OC([C@]12[C@](C=3[C@]([C@@]4(CCC5[C@@]([C@]4(CC3)[H])(CC[C@](OC(=O)C)(C5(C)C)[H])C)C)(CC1)C)([C@]([C@@](CC2)(C)[H])(C)[H])[H])=O |
| SPLASH |
splash10-001j-8960000000-b32fc5f17ecd5290dfd9 |
| Source of Spectrum |
PS-0-0-17 |
| Wiley ID |
851084 |
