For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,19-diol deriv.

View entire compound with spectra: 1 MS (GC)

1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,19-diol deriv.
SpectraBase Compound ID 3Xktq9l0cpX
InChI InChI=1S/C32H52O3/c1-19(2)23-18-24(34)27-30(23,7)16-17-31(8)22-10-11-25-28(4,5)26(35-20(3)33)13-14-29(25,6)21(22)12-15-32(27,31)9/h12,19,22-27,34H,10-11,13-18H2,1-9H3/t22?,23-,24+,25?,26+,27?,29+,30-,31-,32+/m1/s1
InChIKey ZFDHHJKYPBEVIK-VPJSOETKSA-N
Mol Weight 484.8 g/mol
Molecular Formula C32H52O3
Exact Mass 484.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5balPqQ7GX
Name 1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,19-diol deriv.
Alternate Name(s) D:C-Friedo-B':A'-neogammacer-9(11)-ene-3,19-diol, 3-acetate, (3.beta.,19.beta.)- (1S,3R,3aR,5aR,9S,11aR,13aS)-1-hydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl acetate 3.beta.-acetoxyfern-9(11)-en-19.beta.-ol Triterpene C
CAS Registry Number 127776-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H52O3
InChI InChI=1S/C32H52O3/c1-19(2)23-18-24(34)27-30(23,7)16-17-31(8)22-10-11-25-28(4,5)26(35-20(3)33)13-14-29(25,6)21(22)12-15-32(27,31)9/h12,19,22-27,34H,10-11,13-18H2,1-9H3/t22?,23-,24+,25?,26+,27?,29+,30-,31-,32+/m1/s1
InChIKey ZFDHHJKYPBEVIK-VPJSOETKSA-N
Molecular Weight 484.765 g/mol
SMILES O[C@@]1(C2[C@@]([C@@](C(C)C)(C1)[H])(CC[C@]1([C@]2(CC=C2[C@]3(C(C(C)(C)[C@](CC3)(OC(=O)C)[H])CCC12)C)C)C)C)[H]
SPLASH splash10-052f-5011900000-1a6498bb1dc8c6dac725
Source of Spectrum B-43-626-2
Wiley ID 1396184