CAS
28280-67-3 Purity
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28280-67-3 Purity
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3-Hydroxytirucallic acid
CAS
28282-27-1
Catalog Number
ACM28282271
Category
Other Products
Molecular Weight
456.700320 [g/mol]
Molecular Formula
C30H48O3
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Specification
Synonyms
alpha-Elemolic acid, 28282-27-1, 3-Hydroxytirucallic acid, AC1L9BGA, SureCN5605908, 3alpha-Hydroxytirucallenoic acid, C08623, 3alpha-Hydroxytirucalla-8,24-dien-21-oic acid, (2S)-2-[(3R,5R,10S,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
IUPAC Name
(2S)-2-[(3R,5R,10S,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Canonical SMILES
CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C
InChI Key
NBSBUIQBEPROBM-IMJUUJEHSA-N
H-Bond Acceptor
3
H-Bond Donor
2
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