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beta-sitosterol 3-O-acetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM103174

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₁H₅₂O₂

charge

mass

456.39673

reference

chebi:69433

InChIKey

PBWOIPCULUXTNY-LBKBYZTLSA-N

InChI

InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:69433 chebi:69433	beta-sitosterol 3-O-acetate 3beta-acetoxystigmast-5-ene beta-sitosterol acetate beta-sitosteryl acetate stigmast-5-en-3beta-yl acetate
hmdb:HMDB0030151	beta-Sitosterol acetate 14-(5-Ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl acetic acid 14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl acetate 3beta -Acetoxystigmast-5-ene 3beta-Acetoxystigmast-5-ene Acetyl-beta -sitosterol Acetyl-beta-sitosterol Sitosterol acetate Sitosterol,beta , acetate Sitosterol,beta, acetate Sitosteryl acetate Stigmast-5-en-3-beta-yl acetate Stigmast-5-en-3-ol, acetate Stigmast-5-en-3-ol, acetate (8ci) Stigmast-5-en-3-ol, acetate, (3beta)- (9ci) Stigmast-5-en-3-yl acetate Stigmast-5-en-3beta -ol, acetate Stigmast-5-en-3beta -yl acetate Stigmast-5-en-3beta-ol, acetate Stigmast-5-en-3beta-yl acetate b-Sitosterol acetate b-Sitosterol acetic acid beta -Sitosterol 3-acetate beta -Sitosterol acetate beta -Sitosterol, acetate beta -Sitosteryl acetate beta -Stitosteryl acetate beta-Sitosterol 3-acetate beta-Sitosterol acetic acid beta-Sitosteryl acetate beta-sitosterol acetate beta-sitosterol acetic acid
hmdb:HMDB30151	secondary/obsolete/fantasy identifier