β-D-Glucopyranoside, (3β,16β,20R)-16,20-dihydroxypregn-5-en-3-yl

CAS Registry Number®

171828-53-8

CAS Name

β-D-Glucopyranoside, (3β,16β,20R)-16,20-dihydroxypregn-5-en-3-yl

Molecular Formula

C27H44O8

Molecular Mass

496.63

Cite this Page

β-D-Glucopyranoside, (3β,16β,20R)-16,20-dihydroxypregn-5-en-3-yl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171828-53-8 (retrieved 2024-11-26) (CAS RN: 171828-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O8/c1-13(29)21-19(30)11-18-16-5-4-14-10-15(6-8-26(14,2)17(16)7-9-27(18,21)3)34-25-24(33)23(32)22(31)20(12-28)35-25/h4,13,15-25,28-33H,5-12H2,1-3H3/t13-,15+,16-,17+,18+,19+,20-,21+,22-,23+,24-,25-,26+,27+/m1/s1

InChIKey

InChIKey=MMAFNNBLJJXUCU-KTXQMZMKSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC4)(CC1)[H])[H])(C[C@H](O)[C@@]2([C@@H](C)O)[H])[H]

Canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC(O)C5C(O)C)C3(C)CC2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,16β,20R)-16,20-dihydroxypregn-5-en-3-yl

CAS INSIGHTSTM
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