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Card-20(22)-enolide, 14-hydroxy-2,3-[(tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-3,2-diyl) bis(oxy)]-, [2.alpha.(2S,3S,4S,6R),3.beta.,5.alpha.]-
SpectraBase Compound ID 3q1LgekTx4z
InChI InChI=1S/C29H42O8/c1-15-10-23(30)29(33)25(35-15)36-21-12-17-4-5-20-19(26(17,2)13-22(21)37-29)6-8-27(3)18(7-9-28(20,27)32)16-11-24(31)34-14-16/h11,15,17-23,25,30,32-33H,4-10,12-14H2,1-3H3/t15?,17-,18+,19-,20+,21-,22-,23?,25?,26-,27+,28?,29?/m0/s1
InChIKey OFKILMDHPMNNBF-KUXCQKKRSA-N
Mol Weight 518.6 g/mol
Molecular Formula C29H42O8
Exact Mass 518.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HyZpRuX5pC
Name Card-20(22)-enolide, 14-hydroxy-2,3-[(tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-3,2-diyl) bis(oxy)]-, [2.alpha.(2S,3S,4S,6R),3.beta.,5.alpha.]-
CAS Registry Number 89103-54-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42O8
InChI InChI=1S/C29H42O8/c1-15-10-23(30)29(33)25(35-15)36-21-12-17-4-5-20-19(26(17,2)13-22(21)37-29)6-8-27(3)18(7-9-28(20,27)32)16-11-24(31)34-14-16/h11,15,17-23,25,30,32-33H,4-10,12-14H2,1-3H3/t15?,17-,18+,19-,20+,21-,22-,23?,25?,26-,27+,28?,29?/m0/s1
InChIKey OFKILMDHPMNNBF-KUXCQKKRSA-N
Molecular Weight 518.647 g/mol
SMILES OC12[C@]3([C@@]([C@]4(C[C@]5([C@@](OC6C(O5)(C(CC(O6)C)O)O)(C[C@@]4(CC3)[H])[H])[H])C)(CC[C@@]1([C@](CC2)(C1=CC(=O)OC1)[H])C)[H])[H]
SPLASH splash10-004i-0904000000-53119bac88c447e0fce1
Source of Spectrum KC-1983-2834-0
Synonyms 1H,9H-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin, card-20(22)-enolide deriv. 3'-Epigomphoside 4-[(1R,3bR,5aS,6aS,12aS,13aS,13bS,15aR)-3a,11,11a-trihydroxy-9,13a,15a-trimethylicosahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]-2(5H)-furanone
Wiley ID 1401700