SpectraBase Spectrum ID |
6YlwsPt1lZ1 |
Name |
17-Norkaurane-13-carboxylic acid, 18-[[(4-bromophenyl)sulfonyl]oxy]-3-hydroxy-, methyl ester, (3.alpha.,4.alpha.,8.beta.,13.beta.)- |
CAS Registry Number |
82053-62-1 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H37BrO6S |
InChI |
InChI=1S/C27H37BrO6S/c1-24-11-10-22(29)25(2,17-34-35(31,32)19-6-4-18(28)5-7-19)20(24)8-12-26-14-15-27(16-26,23(30)33-3)13-9-21(24)26/h4-7,20-22,29H,8-17H2,1-3H3/t20-,21-,22-,24+,25+,26+,27-/m1/s1 |
InChIKey |
ZNYWCELOIDQYCD-MUADMUKOSA-N |
Molecular Weight |
569.551 g/mol |
SMILES |
O[C@]1([C@@](COS(c2ccc(cc2)Br)(=O)=O)([C@]2([C@]([C@]3(CC[C@@]4(C[C@]3(CC2)CC4)C(=O)OC)[H])(C)CC1)[H])C)[H] |
SPLASH |
splash10-0w29-0098000000-8f60d2e4270e640d40c0 |
Source of Spectrum |
B-35-618-0 |
Synonyms |
1H-2,10a-ethanophenanthrene, 17-norkaurane-13-carboxylic acid deriv.
Methyl (3alpha,4alpha,5alpha,9alpha,10beta,13alpha)-18-{[(4-bromophenyl)sulfonyl]oxy}-3-hydroxystachan-17-oate
Methyl ester of ent-19-p-bromobenzenesulfonyloxy-3.beta.-hydroxybeyeran-17-oic acid |
Wiley ID |
1407479 |