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Substance Name: Weinbersterol disulfate B
RN: 134515-54-1
InChIKey: USJRJXMGUMEVEB-INEALCQFSA-N

Molecular Formula

  • C30-H52-O10-S2

Molecular Weight

  • 636.8628
 
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Names and Synonyms

Results Name

  • Weinbersterol disulfate B

Synonyms

  • Sterol HB100 (Disodium salt)
  • Weinbersterol disulfate B

Systematic Name

  • 24-Norcholane-2,3,16,18-tetrol, 23-(2-methyl-1-(1-methylethyl)cyclopropyl)-, 2,3-bis(hydrogen sulfate), (2beta,3alpha,5alpha,16beta,20xi)-

Registry Numbers

CAS Registry Number

  • 134515-54-1

System Generated Number

  • 0134515541

Structure Descriptors

InChI

1S/C30H52O10S2/c1-17(2)29(14-19(29)4)10-8-18(3)27-24(32)13-23-21-7-6-20-12-25(39-41(33,34)35)26(40-42(36,37)38)15-28(20,5)22(21)9-11-30(23,27)16-31/h17-27,31-32H,6-16H2,1-5H3,(H,33,34,35)(H,36,37,38)/t18?,19?,20-,21?,22?,23?,24-,25-,26-,27-,28-,29?,30+/m0/s1

InChIKey

USJRJXMGUMEVEB-INEALCQFSA-N

Smiles

CC1CC1(CCC(C)[C@H]2[C@H](CC3[C@@]2(CCC4C3CC[C@@H]5[C@@]4(C[C@@H]([C@H](C5)OS(=O)(=O)O)OS(=O)(=O)O)C)CO)O)C(C)C