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9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
SpectraBase Compound ID 1rrgw6kx8Q6
InChI InChI=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)
InChIKey ZDZSFWLPCFRASW-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C29H36O6
Exact Mass 480.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYs3tuk0vcr
Name 9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Alternate Name(s) 9-formyl-10,11-dihydroxy-8-keto-2,4a,6a,6a,14a-pentamethyl-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid 9-Methanoyl-2,4a,6a,6a,14a-pentamethyl-10,11-bis(oxidanyl)-8-oxidanylidene-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid Demethylzeylasteral
CAS Registry Number 107316-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36O6
InChI InChI=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)
InChIKey ZDZSFWLPCFRASW-UHFFFAOYSA-N
Molecular Weight 480.601 g/mol
SMILES OC(C1(CC2C3(C(C4=CC(c5c(c(c(cc5C4(CC3)C)O)O)C=O)=O)(CCC2(CC1)C)C)C)C)=O
SPLASH splash10-00kb-2920200000-a939d0637535516bf099
Source of Spectrum KC-1987-2854-5
Wiley ID 1395265