(6aS,7aS,8aR,9aR,11R,13aS,13bR,15bR)-3-Methoxy-4,4,6a,10,10,13a,15b-heptamethyldocosahydronaphtho[1'',2'':5',6']cyclohepta[1',2':3,4]naphtho[2,3-b]oxiren-11-yl acetate

(6aS,7aS,8aR,9aR,11R,13aS,13bR,15bR)-3-Methoxy-4,4,6a,10,10,13a,15b-heptamethyldocosahydronaphtho[1'',2'':5',6']cyclohepta[1',2':3,4]naphtho[2,3-b]oxiren-11-yl acetate

Common Name: (6aS,7aS,8aR,9aR,11R,13aS,13bR,15bR)-3-Methoxy-4,4,6a,10,10,13a,15b-heptamethyldocosahydronaphtho[1'',2'':5',6']cyclohepta[1',2':3,4]naphtho[2,3-b]oxiren-11-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H54O4/c1-20(34)36-26-14-17-32(8)23-11-10-22-30(6,19-33(23)27(37-33)18-24(32)29(26,4)5)15-12-21-28(2,3)25(35-9)13-16-31(21,22)7/h21-27H,10-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27+,30-,31-,32+,33-/m0/s1

InChIKey: InChIKey=VLMDTDWMHWKUHV-MJYVKZAJSA-N

Formula: C33H54O4

Molecular Weight: 514.780705

Exact Mass: 514.40221

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Tanaka, R., Tsujimoto, K., Matsunaga, S. Phytochemistry (1999) 52, 1581-5

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 33.7
2 (CH2) 20.3
3 (CH) 85.5
4 (C) 38.2
5 (CH) 50
6 (CH2) 18.6
7 (CH2) 44.9
8 (C) 39.4
9 (CH) 62.9
10 (C) 38.3
11 (CH2) 25.4
12 (CH2) 27.2
13 (CH) 57.3
14 (C) 60.8
15 (CH) 59
16 (CH2) 23
17 (CH) 39.6
18 (C) 35.5
19 (CH2) 32.8
20 (CH2) 23.1
21 (CH) 77.7
22 (C) 36.4
23 (CH3) 28.8
24 (CH3) 22.4
25 (CH3) 16.5
26 (CH3) 20.8
27 (CH2) 55.7
28 (CH3) 14.8
29 (CH3) 22.5
30 (CH3) 27.6
3a (CH3) 56.7
21a (C) 170.8
21b (CH3) 21