Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25S)-
CAS Registry Number®
196607-74-6
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CAS Name
Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25S)-Molecular Formula
C27H42O5Molecular Mass
446.62Cite this Page
Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25S)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=196607-74-6 (retrieved ) (CAS RN: 196607-74-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20+,21+,23-,24-,25-,26+,27+/m0/s1
InChIKey
InChIKey=BTSHHJQHTVNSLW-LSLZVYMXSA-N
SMILES
C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CC[C@H](C)CO4)(C[C@]1([C@]5([C@](CC2)([C@]6(C)[C@@]([C@H](O)C5)(C[C@@H](O)C(=O)C6)[H])[H])[H])[H])[H])[H]
Canonical SMILES
O=C1CC2(C)C3CCC4(C)C(CC5OC6(OCC(C)CC6)C(C)C54)C3CC(O)C2CC1O
Other Names for this Substance
- Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25S)-
- Neoporrigenin B
- (-)-Neoporrigenin B
