(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol

Compound number:
MolPort-004-956-055
CAS number: 83-48-7
IUPAC:
(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC traditional:
stigmasterol
SMILES:
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|
InChI key:
HCXVJBMSMIARIN-PHZDYDNGSA-N
Molecular formula:
C29H48O
Molecular weight: 412.702

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Catalog: Screening compound Ships out: 5 business days Purity: 95
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Catalog: Screening compound Ships out: 20 business days Purity: >=95%
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Catalog: Building blocks Ships out: 2 business days Purity: 98% (GC)
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Catalog: Made to order Ships out: 40 business days Purity: 95
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More Information

Compound Identifiers
Compound number: MolPort-004-956-055
CAS number: 83-48-7

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004096712
MFCD00003630
14-((2E)(4S,1R)-4-ethyl-1,5-dimethylhex-2-enyl)(1S,5S,10S,11S,2R,14R,15R)-2,15 -dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Phytosterol
stigmasta-5,22E-dien-3?-ol
Stigmasterin
Stigmasterin, Beta-Stigmasterol
Stigmasterol
Stigmasterol (Stigmasterin)

InChI
InChI: 1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChI key: HCXVJBMSMIARIN-PHZDYDNGSA-N

Calculated Properties
Molecular formula: C29H48O
Molecular weight: 412.702

Other

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2019 MolPort, v3.09, release date 20-08-2019 16:00 (+0200). All rights reserved.
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