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2alpha-Hydroxypyracrenic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM117121

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

formula

C₃₉H₅₄O₇

charge

mass

634.38695

reference

chebi:168334

InChIKey

AWDJEUILTFQWKH-UKTHLTGXSA-N

InChI

InChI=1S/C39H54O7/c1-22(2)24-14-17-39(34(44)45)19-18-37(6)25(32(24)39)10-12-30-36(5)21-28(42)33(35(3,4)29(36)15-16-38(30,37)7)46-31(43)13-9-23-8-11-26(40)27(41)20-23/h8-9,11,13,20,24-25,28-30,32-33,40-42H,1,10,12,14-19,21H2,2-7H3,(H,44,45)/b13-9+

SMILES

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)C5CCC43C)C12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168334 chebi:168334	2alpha-Hydroxypyracrenic acid 9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-10-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
hmdb:HMDB0029780	2alpha-Hydroxypyracrenic acid 17-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-16-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-5-carboxylate 17-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-16-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-5-carboxylic acid 2a-Hydroxypyracrenate 2a-Hydroxypyracrenic acid 2alpha-Hydroxypyracrenate 2alpha-hydroxypyracrenate 2alpha-hydroxypyracrenic acid
hmdb:HMDB29780	secondary/obsolete/fantasy identifier