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3.beta.,18-diacetoxy-ent-ros-5-ene- 15.beta.,16-acetonide
SpectraBase Compound ID ASFUdMkefOY
InChI InChI=1S/C27H42O6/c1-17(28)30-16-27(7)21-9-8-19-14-25(5,23-15-31-24(3,4)33-23)12-13-26(19,6)20(21)10-11-22(27)32-18(2)29/h9,19-20,22-23H,8,10-16H2,1-7H3/t19?,20?,22-,23?,25+,26+,27-/m0/s1
InChIKey VTPHCXCMCLXUFC-UCRPNQMPSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISnJKb0vkkJ
Name 3.beta.,18-diacetoxy-ent-ros-5-ene- 15.beta.,16-acetonide
Alternate Name(s) {(1R,2S,4bR,7R)-2-(acetyloxy)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,4b,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1-phenanthrenyl}methyl acetate
CAS Registry Number 119769-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-17(28)30-16-27(7)21-9-8-19-14-25(5,23-15-31-24(3,4)33-23)12-13-26(19,6)20(21)10-11-22(27)32-18(2)29/h9,19-20,22-23H,8,10-16H2,1-7H3/t19?,20?,22-,23?,25+,26+,27-/m0/s1
InChIKey VTPHCXCMCLXUFC-UCRPNQMPSA-N
Molecular Weight 462.627 g/mol
SMILES C1=2[C@@]([C@@](OC(=O)C)(CCC1[C@@]1(CC[C@](CC1CC2)(C1OC(C)(C)OC1)C)C)[H])(COC(=O)C)C
SPLASH splash10-0ab9-0933100000-55c7522b8f906622ba9e
Source of Spectrum J-54-4524-15
Wiley ID 1391115