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1-(1,5-Dimethyl-4-hexenyl)-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl acetate
SpectraBase Compound ID 5SVRPvR279O
InChI InChI=1S/C32H52O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h10,22,24-27H,9,11-20H2,1-8H3/t22-,24-,25?,26+,27?,29-,30+,31-,32?/m1/s1
InChIKey PQNTWKDHNSWVPU-ABPURZGDSA-N
Mol Weight 468.8 g/mol
Molecular Formula C32H52O2
Exact Mass 468.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hy1ayAIbxX
Name 9,19-CYCLOLANOST-24-EN-3-OL, ACETATE
CAS Registry Number 124094-10-6
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 468.396730912 u
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h10,22,24-27H,9,11-20H2,1-8H3/t22-,24-,25?,26+,27?,29-,30+,31-,32?/m1/s1
InChIKey PQNTWKDHNSWVPU-ABPURZGDSA-N
Molecular Weight 468.766 g/mol
Nominal Mass 468 u
Number of Peaks 296
SMILES C1(CC[C@@]23C4(CC[C@@]5([C@](CC[C@]5([C@@]4(CCC3C1(C)C)[H])C)([C@@](CCC=C(C)C)(C)[H])[H])C)C2)OC(C)=O
SPLASH splash10-0aor-5952200000-05253abef3039632a3e8
Source File Reference LMCM-56666-998V
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (3R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.0(1,3).0(3,8).0(12,16)]octadecan-6-yl acetate 1-(1,5-DIMETHYL-4-HEXENYL)-3A,6,6,12A-TETRAMETHYLTETRADECAHYDRO-1H-CYCLOPENTA[A]CYCLOPROPA[E]PHENANTHREN-7-YL ACETATE
Wiley ID 8_23317