Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C36H61O11.Na |
| Molecular Weight | 692.8527 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 17 / 17 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]1(C[C@@H](C)[C@]([H])(O1)[C@]2(CC)CC[C@@]([H])(O2)[C@@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@]([H])(O4)[C@H](C)[C@H](OC)[C@@H](C)C([O-])=O)O3)[C@@]5([H])O[C@@](O)(CO)[C@H](C)C[C@@H]5C
InChI
InChIKey=XOIQMTLWECTKJL-PDHYURILSA-M
InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1
Approval Year
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NCI_THESAURUS |
C277
Created by
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ACTIVE MOIETY
SUBSTANCE RECORD
