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2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM1378441

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₇H₄₄O₈

charge

mass

496.641

reference

chebi:182832

InChIKey

RRCGNPRHZQPOOT-UHFFFAOYSA-N

InChI

InChI=1S/C27H44O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3

SMILES

[CH3:1][C:23]([CH2:8][CH2:7][CH:22]([C:26]([CH3:4])([CH:21]1[CH2:6][CH2:10][C:27]2([OH:35])[C:16]3=[CH:11][C:18](=[O:29])[CH:17]4[CH2:12][CH:19]([OH:30])[CH:20]([OH:31])[CH2:13][C:24]4([CH3:2])[CH:15]3[CH2:5][CH2:9][C:25]12[CH3:3])[OH:34])[OH:32])([CH2:14][OH:28])[OH:33]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:182832 chebi:182832	2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
hmdb:HMDB0245570	20,26-Dihydroxyecdysone 4,5,11-trihydroxy-2,15-dimethyl-14-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one
metacyc.compound:CPD-15601 metacycM:CPD-15601	20,26-dihydroxyecdysone ergosta-5,24(28)-diene-3,20,26-triol