Spirosol-5-en-3-ol, 28-acetyl-, 3-acetate, (3β,22α,25R)-
CAS Registry Number®
4860-15-5
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CAS Name
Spirosol-5-en-3-ol, 28-acetyl-, 3-acetate, (3β,22α,25R)-Molecular Formula
C31H47NO4Molecular Mass
497.71Cite this Page
Spirosol-5-en-3-ol, 28-acetyl-, 3-acetate, (3β,22α,25R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4860-15-5 (retrieved ) (CAS RN: 4860-15-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
165-166 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C31H47NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h7,18-19,23-28H,8-17H2,1-6H3/t18-,19+,23+,24-,25+,26+,27+,28+,29+,30+,31-/m1/s1
InChIKey
InChIKey=CUIHFVBXGFUGAP-KFQJCUQPSA-N
SMILES
C[C@@H]1[C@@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)C(=CC5)C[C@@H](OC(C)=O)CC6)[H])[H])[H])[H])[H])N(C(C)=O)C[C@H](C)CC2
Canonical SMILES
O=C(OC1CC2=CCC3C(CCC4(C)C3CC5OC6(N(C(=O)C)CC(C)CC6)C(C)C54)C2(C)CC1)C
Other Names for this Substance
- Spirosol-5-en-3-ol, 28-acetyl-, 3-acetate, (3β,22α,25R)-
- Solasod-5-en-3β-ol, N-acetyl-, acetate (ester)
- Spirosol-5-en-3-ol, 28-acetyl-, acetate (ester), (3β,22α,25R)-
- Solasodine, N-acetyl-, acetate
- Solasodine, N,O-diacetyl-
Deleted or Replaced CAS Registry Numbers
620610-46-0