(2S,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one
-
![(2S,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8e406debc44d4bb5be889a033537b102.png "(2S,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one")
(2S,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one
structure -
-
CAS No:
25495-63-0
-
Formula:
C30H46O4
-
Chemical Name:
(2S,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one
-
Synonyms:
Holothurinogenin;25495-63-0;Nobilisidenol A;DTXSID10948388;3,17-Dihydroxy-18,20-epoxylanosta-7,9(11)-dien-18-one;Lanosta-7,9(11)-dien-18-oic acid, 3,17,20-trihydroxy-, gamma-lactone, (3beta)-
-
CAS No:
(2S,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one Basic Attributes
470.7 g/mol
470.33960994 g/mol
Computed Properties
Molecular Weight:470.7
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:470.33960994
Monoisotopic Mass:470.33960994
Topological Polar Surface Area:66.8
Heavy Atom Count:34
Complexity:961
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation