Gaudichaudol C

SpectraBase Compound ID	260UdncBgba
InChI	InChI=1S/C29H42O6/c1-21-4-12-26-28(2,15-3-16-29(26,19-31)20-32)25(21)11-7-23(14-17-30)18-35-27(34)13-8-22-5-9-24(33)10-6-22/h5-6,8-10,12-13,21,23,25,30-33H,3-4,7,11,14-20H2,1-2H3/b13-8+/t21-,23?,25?,28+/m0/s1
InChIKey	WKYXCYBYTMQMJO-QFECMFDWSA-N Google Search
Mol Weight	486.6 g/mol
Molecular Formula	C29H42O6
Exact Mass	486.298139 g/mol

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SpectraBase Spectrum ID	K1Yzv97h0eC
Name	Gaudichaudol C
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H42O6
InChI	InChI=1S/C29H42O6/c1-21-4-12-26-28(2,15-3-16-29(26,19-31)20-32)25(21)11-7-23(14-17-30)18-35-27(34)13-8-22-5-9-24(33)10-6-22/h5-6,8-10,12-13,21,23,25,30-33H,3-4,7,11,14-20H2,1-2H3/b13-8+/t21-,23?,25?,28+/m0/s1
InChIKey	WKYXCYBYTMQMJO-QFECMFDWSA-N
Molecular Weight	486.649 g/mol
SMILES	Oc1ccc(\C=C\C(OCC(CCC2[C@@]3(C(C(CO)(CCC3)CO)=CC[C@@]2(C)[H])C)CCO)=O)cc1
SPLASH	splash10-0002-2900000000-30b4bbb2a1e809c5b7b8
Source of Spectrum	X2-57-806-3
Synonyms	4,4-bis(Hydroxymethyl)-8-[4'-(hydroxymethyl)-3'-(5''-phenyl2''-oxa-3''-pentenyl)butyl]-9-methyl-octahydronaphthalene (E)-3-(4-hydroxyphenyl)-2-propenoic acid [2-[2-[(2S,8aR)-5,5-bis(hydroxymethyl)-2,8a-dimethyl-1,2,3,6,7,8-hexahydronaphthalen-1-yl]ethyl]-4-hydroxybutyl] ester [2-[2-[(2S,8aR)-5,5-bis(hydroxymethyl)-2,8a-dimethyl-1,2,3,6,7,8-hexahydronaphthalen-1-yl]ethyl]-4-hydroxybutyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [2-[2-[(2S,8aR)-5,5-bis(hydroxymethyl)-2,8a-dimethyl-1,2,3,6,7,8-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-butyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [2-[2-[(2S,8aR)-5,5-bis(hydroxymethyl)-2,8a-dimethyl-1,2,3,6,7,8-hexahydronaphthalen-1-yl]ethyl]-4-oxidanyl-butyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Wiley ID	1605459