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

Compound number
MolPort-039-338-735
CAS number
35963-37-2
IUPAC
(1R,3aR,7S,9aS,11aR)-1-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC traditional
(1R,3aR,7S,9aS,11aR)-1-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-7-ol
SMILES
[#6]-[#6@H](-[#6@H](-[#8])-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6]1-[#6]-[#6]-3 |r,c:14|
InChI key
KKWJCGCIAHLFNE-UJHWODAZSA-N
Molecular formula
Molecular weight
442.728
Solubility
not available

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Catalog
Screening compound
Ships out
7 business days
Purity
>=98%
Last updated
> 3 months ago
In warehouse
Unverified

Supplier Catalogue Data

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5 mg June 2, 2022 426.00 USD
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More Information

Compound identifiers

Compound number
MolPort-039-338-735
CAS number
35963-37-2

Names, Synonyms and 3rd Party Identifiers

InChI

InChI
1/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24+,25?,26-,28+,29+,30-/m0/s1
InChI key
KKWJCGCIAHLFNE-UJHWODAZSA-N

Formula

Molecular formula
C30H50O2
Molecular weight
442.728

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