(3ß,4a,16a)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
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Product Description
Product
(3ß,4a,16a)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
CAS
631-01-6
Formula
C30H46O5
Synonym
QUILLAIA; (3beta,4alpha,16alpha)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid; (4S)-3ß,16a-Dihydroxy-23-oxoolean-12-en-28-oic acid; EXTRACTOFQUILLAIA; Olean-12-en-28-oic acid, 3,16-dihydroxy-23-oxo-, (3.beta.,4.alpha.,16.alpha.)-; QUILLAIAEXTRACTS; Quillaic acid; QUILLAJAEXTRACTS
Typical Product Specifications
Molecular weight
486.68
EINECS
211-149-8
SMILES
C=12[C@@H]3CC(C)(C)CC[C@]3(C(=O)O)[C@@H](C[C@@]2([C@@]2([C@@H]([C@@]3(CC[C@@H]([C@@]([C@@H]3CC2)(C=O)C)O)C)CC1)C)C)O
InChI
MQUFAARYGOUYEV-UAWZMHPWSA-N
InChIKey
1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
Melting Point
294 ° C
log P (octanol-water)
5.330
Atmospheric OH Rate Constant
1.83E-10 cm3/molecule-sec
Class
(3ß,4a,16a)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
Product Description
Product
(3ß,4a,16a)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
CAS
631-01-6
Formula
C30H46O5
Synonym
QUILLAIA; (3beta,4alpha,16alpha)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid; (4S)-3ß,16a-Dihydroxy-23-oxoolean-12-en-28-oic acid; EXTRACTOFQUILLAIA; Olean-12-en-28-oic acid, 3,16-dihydroxy-23-oxo-, (3.beta.,4.alpha.,16.alpha.)-; QUILLAIAEXTRACTS; Quillaic acid; QUILLAJAEXTRACTS
Typical Product Specifications
Molecular weight
486.68
EINECS
211-149-8
SMILES
C=12[C@@H]3CC(C)(C)CC[C@]3(C(=O)O)[C@@H](C[C@@]2([C@@]2([C@@H]([C@@]3(CC[C@@H]([C@@]([C@@H]3CC2)(C=O)C)O)C)CC1)C)C)O
InChI
MQUFAARYGOUYEV-UAWZMHPWSA-N
InChIKey
1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
Melting Point
294 ° C
log P (octanol-water)
5.330
Atmospheric OH Rate Constant
1.83E-10 cm3/molecule-sec
Class
