(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol

Compound number:
MolPort-003-932-544
CAS number: 512-04-9
IUPAC:
(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol
IUPAC traditional:
diosgenin
SMILES:
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1 |t:8|
InChI key:
WQLVFSAGQJTQCK-VKROHFNGSA-N
Molecular formula:
C27H42O3
Molecular weight: 414.63
Sample Reformatting

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More Information

Compound Identifiers
Compound number: MolPort-003-932-544
CAS number: 512-04-9

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000006857614
MFCD00016887
(25R)-5-Spirosten-3��-ol 3��-Hydroxy-5-spirostene
(3?,25R)-spirost-5-en-3-ol
(3??,25R)-Spirost-5-en-3-ol
(3β,25R)-Spirost-5-en-3-ol
(3beta,25R) Spirost-5-en-3-ol
(7S,8S,10S,13S,15S,18S,22S,3R,12R,14R,19R)-3,13,15,19-tetramethyl-11-oxaspiro[ 2H-3,4,5,6-tetrahydropyran-6,6'-pentacyclo[10.8.0.0<2,9>.0<4,8>.0<13,18>]icosa ne]-24-en-22-ol
DHA
DIOSGENIN
N/A
Spirost-5-en-3-ol, (3b,25R)-

InChI
InChI: 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI key: WQLVFSAGQJTQCK-VKROHFNGSA-N

Calculated Properties
Molecular formula: C27H42O3
Molecular weight: 414.63

Other

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2019 MolPort, v3.16, release date 11-09-2019 16:00 (+0200). All rights reserved.
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